A1CB5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C08 | C07 | sing | 1.51Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C07 | O24 | doub | 1.21Å | 1.20Å | |
| C07 | O06 | sing | 1.34Å | 1.44Å | |
| O06 | C05 | sing | 1.45Å | 1.43Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C05 | C03 | sing | 1.53Å | 1.56Å | |
| O04 | C03 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C02 | O01 | sing | 1.43Å | 1.42Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| O01 | H39 | sing | 0.97Å | 0.95Å | |
| O04 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 112.0° | 109.5° |
| C13 | C12 | C11 | 111.8° | 109.5° |
| C13 | C12 | H14 | 108.9° | 109.4° |
| C13 | C12 | H15 | 108.9° | 109.4° |
| C12 | C13 | H16 | 108.9° | 109.5° |
| C12 | C13 | H17 | 108.8° | 109.4° |
| C13 | C14 | C15 | 114.5° | 109.5° |
| C14 | C13 | H16 | 108.8° | 109.5° |
| C14 | C13 | H17 | 108.8° | 109.5° |
| C13 | C14 | H18 | 108.2° | 109.4° |
| C13 | C14 | H19 | 108.2° | 109.4° |
| C12 | C11 | C10 | 112.4° | 109.5° |
| C12 | C11 | H12 | 108.7° | 109.4° |
| C12 | C11 | H13 | 108.7° | 109.5° |
| C11 | C12 | H14 | 108.9° | 109.5° |
| C11 | C12 | H15 | 108.9° | 109.5° |
| C14 | C15 | C16 | 111.6° | 109.5° |
| C15 | C14 | H18 | 108.2° | 109.5° |
| C15 | C14 | H19 | 108.2° | 109.5° |
| C14 | C15 | H20 | 108.9° | 109.5° |
| C14 | C15 | H21 | 108.9° | 109.5° |
| C15 | C16 | C17 | 114.6° | 109.5° |
| C16 | C15 | H20 | 108.9° | 109.5° |
| C16 | C15 | H21 | 109.0° | 109.4° |
| C15 | C16 | H22 | 108.2° | 109.5° |
| C15 | C16 | H23 | 108.2° | 109.5° |
| C11 | C10 | C09 | 110.7° | 109.5° |
| C11 | C10 | H10 | 109.1° | 109.4° |
| C11 | C10 | H11 | 109.2° | 109.5° |
| C10 | C11 | H12 | 108.7° | 109.5° |
| C10 | C11 | H13 | 108.7° | 109.5° |
| C16 | C17 | C18 | 113.2° | 109.5° |
| C17 | C16 | H22 | 108.2° | 109.5° |
| C17 | C16 | H23 | 108.2° | 109.5° |
| C16 | C17 | H24 | 108.5° | 109.5° |
| C16 | C17 | H25 | 108.5° | 109.5° |
| C10 | C09 | C08 | 112.6° | 109.5° |
| C10 | C09 | H8 | 108.7° | 109.4° |
| C10 | C09 | H9 | 108.7° | 109.5° |
| C09 | C10 | H10 | 109.2° | 109.5° |
| C09 | C10 | H11 | 109.1° | 109.5° |
| C09 | C08 | C07 | 113.7° | 109.5° |
| C09 | C08 | H6 | 108.4° | 109.5° |
| C09 | C08 | H7 | 108.4° | 109.5° |
| C08 | C09 | H8 | 108.7° | 109.5° |
| C08 | C09 | H9 | 108.7° | 109.5° |
| C08 | C07 | O24 | 116.0° | 120.0° |
| C08 | C07 | O06 | 121.1° | 120.0° |
| C07 | C08 | H6 | 108.4° | 109.5° |
| C07 | C08 | H7 | 108.4° | 109.4° |
| C17 | C18 | C19 | 112.6° | 109.5° |
| C18 | C17 | H24 | 108.6° | 109.4° |
| C18 | C17 | H25 | 108.5° | 109.5° |
| C17 | C18 | H26 | 108.7° | 109.5° |
| C17 | C18 | H27 | 108.7° | 109.5° |
| C18 | C19 | C20 | 110.1° | 109.5° |
| C19 | C18 | H26 | 108.7° | 109.4° |
| C19 | C18 | H27 | 108.7° | 109.5° |
| C18 | C19 | H28 | 109.3° | 109.4° |
| C18 | C19 | H29 | 109.3° | 109.5° |
| O24 | C07 | O06 | 122.9° | 120.0° |
| C07 | O06 | C05 | 119.0° | 117.0° |
| O06 | C05 | C03 | 113.5° | 109.5° |
| O06 | C05 | H4 | 108.5° | 109.4° |
| O06 | C05 | H5 | 108.5° | 109.4° |
| C19 | C20 | C21 | 113.6° | 109.5° |
| C20 | C19 | H28 | 109.3° | 109.5° |
| C20 | C19 | H29 | 109.3° | 109.5° |
| C19 | C20 | H30 | 108.4° | 109.5° |
| C19 | C20 | H31 | 108.4° | 109.5° |
| C05 | C03 | O04 | 112.3° | 109.5° |
| C05 | C03 | C02 | 113.9° | 109.5° |
| C05 | C03 | H3 | 106.3° | 109.5° |
| C03 | C05 | H4 | 108.4° | 109.5° |
| C03 | C05 | H5 | 108.4° | 109.5° |
| O04 | C03 | C02 | 109.8° | 109.5° |
| O04 | C03 | H3 | 107.8° | 109.4° |
| C03 | O04 | H40 | 109.5° | 113.9° |
| C20 | C21 | C22 | 115.3° | 109.5° |
| C21 | C20 | H30 | 108.4° | 109.4° |
| C21 | C20 | H31 | 108.4° | 109.4° |
| C20 | C21 | H32 | 108.0° | 109.5° |
| C20 | C21 | H33 | 108.0° | 109.5° |
| C21 | C22 | C23 | 114.7° | 109.5° |
| C22 | C21 | H32 | 108.0° | 109.5° |
| C22 | C21 | H33 | 108.0° | 109.4° |
| C21 | C22 | H34 | 108.2° | 109.4° |
| C21 | C22 | H35 | 108.2° | 109.4° |
| C03 | C02 | O01 | 113.4° | 109.5° |
| C03 | C02 | H1 | 108.5° | 109.5° |
| C03 | C02 | H2 | 108.5° | 109.5° |
| C02 | C03 | H3 | 106.3° | 109.5° |
| C23 | C22 | H34 | 108.2° | 109.5° |
| C23 | C22 | H35 | 108.1° | 109.5° |
| C22 | C23 | H36 | 109.5° | 109.5° |
| C22 | C23 | H37 | 109.5° | 109.5° |
| C22 | C23 | H38 | 109.5° | 109.5° |
| O01 | C02 | H1 | 108.5° | 109.4° |
| O01 | C02 | H2 | 108.5° | 109.4° |
| C02 | O01 | H39 | 109.5° | 114.0° |
| H1 | C02 | H2 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.4° |
| H8 | C09 | H9 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.4° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.4° | 109.5° |
| H22 | C16 | H23 | 109.4° | 109.4° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.4° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| H36 | C23 | H37 | 109.5° | 109.5° |
| H36 | C23 | H38 | 109.5° | 109.4° |
| H37 | C23 | H38 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H16 | 120.4° | 120.0° |
| C12 | C13 | C14 | H17 | 120.4° | 120.0° |
| C13 | C12 | C11 | H14 | 120.3° | 120.0° |
| C13 | C12 | C11 | H15 | 120.4° | 120.0° |
| C12 | C13 | C14 | C15 | 140.9° | 180.0° |
| C13 | C12 | C11 | C10 | 143.9° | 180.0° |
| C13 | C12 | C11 | H12 | 95.6° | 60.0° |
| C13 | C12 | C11 | H13 | 23.5° | 60.0° |
| C13 | C12 | H14 | H15 | 119.0° | 119.9° |
| C12 | C13 | H16 | H17 | 118.9° | 119.9° |
| C12 | C13 | C14 | H18 | 20.1° | 60.0° |
| C12 | C13 | C14 | H19 | 98.4° | 60.0° |
| C14 | C13 | C12 | C11 | 8.1° | 180.0° |
| C13 | C14 | C15 | H18 | 120.7° | 120.0° |
| C13 | C14 | C15 | H19 | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 130.2° | 180.0° |
| C14 | C13 | C12 | H14 | 112.3° | 60.0° |
| C14 | C13 | C12 | H15 | 128.4° | 60.0° |
| C14 | C13 | H16 | H17 | 118.8° | 120.0° |
| C13 | C14 | H18 | H19 | 117.7° | 120.0° |
| C13 | C14 | C15 | H20 | 109.5° | 60.0° |
| C13 | C14 | C15 | H21 | 9.9° | 60.0° |
| C12 | C11 | C10 | H12 | 120.4° | 119.9° |
| C12 | C11 | C10 | H13 | 120.5° | 120.0° |
| C12 | C11 | C10 | C09 | 92.9° | NaN° |
| C12 | C11 | C10 | H10 | 146.9° | 60.0° |
| C12 | C11 | C10 | H11 | 27.3° | 60.0° |
| C12 | C11 | H12 | H13 | 118.7° | 120.0° |
| C11 | C12 | H14 | H15 | 118.9° | 120.1° |
| C11 | C12 | C13 | H16 | 112.3° | 60.0° |
| C11 | C12 | C13 | H17 | 128.5° | 59.9° |
| C14 | C15 | C16 | H20 | 120.3° | 120.0° |
| C14 | C15 | C16 | H21 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 108.2° | 180.0° |
| C15 | C14 | C13 | H16 | 98.7° | 60.0° |
| C15 | C14 | C13 | H17 | 20.5° | 60.0° |
| C15 | C14 | H18 | H19 | 117.7° | 120.1° |
| C14 | C15 | H20 | H21 | 119.0° | 120.0° |
| C14 | C15 | C16 | H22 | 131.0° | 59.9° |
| C14 | C15 | C16 | H23 | 12.6° | 60.0° |
| C15 | C16 | C17 | H22 | 120.8° | 120.0° |
| C15 | C16 | C17 | H23 | 120.8° | 120.0° |
| C15 | C16 | C17 | C18 | 115.4° | 180.0° |
| C16 | C15 | C14 | H18 | 9.5° | 60.0° |
| C16 | C15 | C14 | H19 | 109.1° | 60.0° |
| C16 | C15 | H20 | H21 | 119.1° | 120.0° |
| C15 | C16 | H22 | H23 | 117.7° | 119.9° |
| C15 | C16 | C17 | H24 | 5.2° | 60.0° |
| C15 | C16 | C17 | H25 | 124.1° | 60.0° |
| C11 | C10 | C09 | H10 | 120.2° | 119.9° |
| C11 | C10 | C09 | H11 | 120.2° | 120.1° |
| C11 | C10 | C09 | C08 | 66.1° | 180.0° |
| C11 | C10 | C09 | H8 | 173.5° | 60.0° |
| C11 | C10 | C09 | H9 | 54.4° | 59.9° |
| C11 | C10 | H10 | H11 | 119.5° | 120.0° |
| C10 | C11 | H12 | H13 | 118.7° | 120.1° |
| C10 | C11 | C12 | H14 | 23.6° | 60.1° |
| C10 | C11 | C12 | H15 | 95.7° | 60.0° |
| C16 | C17 | C18 | H24 | 120.6° | 120.0° |
| C16 | C17 | C18 | H25 | 120.5° | 120.0° |
| C16 | C17 | C18 | C19 | 95.5° | 180.0° |
| C17 | C16 | C15 | H20 | 12.2° | 60.0° |
| C17 | C16 | C15 | H21 | 131.5° | 60.0° |
| C17 | C16 | H22 | H23 | 117.6° | 120.0° |
| C16 | C17 | H24 | H25 | 118.3° | 120.0° |
| C16 | C17 | C18 | H26 | 24.9° | 60.0° |
| C16 | C17 | C18 | H27 | 144.0° | 60.0° |
| C10 | C09 | C08 | H8 | 120.5° | 120.0° |
| C10 | C09 | C08 | H9 | 120.5° | 120.0° |
| C10 | C09 | C08 | C07 | 94.3° | 180.0° |
| C10 | C09 | C08 | H6 | 145.1° | 60.0° |
| C10 | C09 | C08 | H7 | 26.4° | 60.0° |
| C10 | C09 | H8 | H9 | 118.6° | 120.0° |
| C09 | C10 | H10 | H11 | 119.4° | 120.0° |
| C09 | C10 | C11 | H12 | 27.5° | 60.1° |
| C09 | C10 | C11 | H13 | 146.7° | 60.0° |
| C09 | C08 | C07 | H6 | 120.6° | 120.1° |
| C09 | C08 | C07 | H7 | 120.6° | 120.0° |
| C09 | C08 | C07 | O24 | 30.0° | 0.0° |
| C09 | C08 | C07 | O06 | 149.0° | 180.0° |
| C09 | C08 | H6 | H7 | 118.1° | 120.0° |
| C08 | C09 | H8 | H9 | 118.6° | 120.0° |
| C08 | C09 | C10 | H10 | 54.1° | 60.0° |
| C08 | C09 | C10 | H11 | 173.8° | 60.0° |
| C08 | C07 | O24 | O06 | 179.0° | 180.0° |
| C08 | C07 | O06 | C05 | 166.6° | 180.0° |
| C07 | C08 | H6 | H7 | 118.1° | 119.9° |
| C07 | C08 | C09 | H8 | 26.2° | 60.0° |
| C07 | C08 | C09 | H9 | 145.3° | 60.0° |
| C17 | C18 | C19 | H26 | 120.5° | 120.0° |
| C17 | C18 | C19 | H27 | 120.5° | 120.0° |
| C17 | C18 | C19 | C20 | 156.8° | 180.0° |
| C18 | C17 | C16 | H22 | 123.8° | 60.0° |
| C18 | C17 | C16 | H23 | 5.4° | 59.9° |
| C18 | C17 | H24 | H25 | 118.3° | 120.0° |
| C17 | C18 | H26 | H27 | 118.6° | 120.0° |
| C17 | C18 | C19 | H28 | 36.7° | 60.0° |
| C17 | C18 | C19 | H29 | 83.1° | 59.9° |
| C18 | C19 | C20 | H28 | 120.1° | 119.9° |
| C18 | C19 | C20 | H29 | 120.1° | 120.0° |
| C18 | C19 | C20 | C21 | 44.4° | 180.0° |
| C19 | C18 | C17 | H24 | 143.9° | 60.0° |
| C19 | C18 | C17 | H25 | 25.0° | 59.9° |
| C19 | C18 | H26 | H27 | 118.6° | 120.0° |
| C18 | C19 | H28 | H29 | 119.7° | 119.9° |
| C18 | C19 | C20 | H30 | 76.2° | 60.1° |
| C18 | C19 | C20 | H31 | 165.0° | 60.0° |
| O24 | C07 | O06 | C05 | 14.5° | 0.0° |
| O24 | C07 | C08 | H6 | 90.6° | 120.1° |
| O24 | C07 | C08 | H7 | 150.6° | 120.0° |
| C07 | O06 | C05 | C03 | 131.9° | 180.0° |
| C07 | O06 | C05 | H4 | 107.5° | 60.0° |
| C07 | O06 | C05 | H5 | 11.3° | 60.0° |
| O06 | C07 | C08 | H6 | 90.4° | 59.9° |
| O06 | C07 | C08 | H7 | 28.4° | 60.0° |
| O06 | C05 | C03 | H4 | 120.6° | 120.0° |
| O06 | C05 | C03 | H5 | 120.6° | 120.0° |
| O06 | C05 | C03 | O04 | 50.3° | 65.0° |
| O06 | C05 | C03 | C02 | 175.9° | 175.0° |
| O06 | C05 | C03 | H3 | 67.3° | 55.0° |
| O06 | C05 | H4 | H5 | 118.2° | 120.0° |
| C19 | C20 | C21 | H30 | 120.6° | 120.0° |
| C19 | C20 | C21 | H31 | 120.6° | 120.1° |
| C19 | C20 | C21 | C22 | 173.8° | 180.0° |
| C20 | C19 | C18 | H26 | 82.7° | 60.0° |
| C20 | C19 | C18 | H27 | 36.3° | 60.0° |
| C20 | C19 | H28 | H29 | 119.7° | 120.1° |
| C19 | C20 | H30 | H31 | 118.1° | 120.1° |
| C19 | C20 | C21 | H32 | 65.3° | 60.0° |
| C19 | C20 | C21 | H33 | 52.9° | 60.0° |
| C05 | C03 | O04 | C02 | 127.8° | 120.0° |
| C05 | C03 | O04 | H3 | 116.7° | 120.0° |
| C05 | C03 | C02 | H3 | 116.7° | 120.0° |
| C05 | C03 | C02 | O01 | 154.0° | 175.0° |
| C05 | C03 | C02 | H1 | 85.4° | 65.0° |
| C05 | C03 | C02 | H2 | 33.5° | 55.0° |
| C03 | C05 | H4 | H5 | 118.1° | 120.0° |
| C05 | C03 | O04 | H40 | 180.0° | 60.0° |
| O04 | C03 | C02 | H3 | 116.4° | 119.9° |
| O04 | C03 | C02 | O01 | 79.1° | 65.0° |
| O04 | C03 | C02 | H1 | 41.5° | 55.0° |
| O04 | C03 | C02 | H2 | 160.4° | 175.1° |
| O04 | C03 | C05 | H4 | 70.4° | 175.1° |
| O04 | C03 | C05 | H5 | 170.9° | 55.0° |
| C20 | C21 | C22 | H32 | 120.8° | 120.0° |
| C20 | C21 | C22 | H33 | 120.8° | 120.0° |
| C20 | C21 | C22 | C23 | 168.0° | 180.0° |
| C21 | C20 | C19 | H28 | 164.5° | 60.0° |
| C21 | C20 | C19 | H29 | 75.7° | 60.0° |
| C21 | C20 | H30 | H31 | 118.1° | 119.9° |
| C20 | C21 | H32 | H33 | 117.3° | 120.0° |
| C20 | C21 | C22 | H34 | 47.2° | 60.0° |
| C20 | C21 | C22 | H35 | 71.2° | 60.0° |
| C21 | C22 | C23 | H34 | 120.8° | 120.0° |
| C21 | C22 | C23 | H35 | 120.8° | 120.0° |
| C22 | C21 | C20 | H30 | 53.2° | 60.0° |
| C22 | C21 | C20 | H31 | 65.5° | 60.0° |
| C22 | C21 | H32 | H33 | 117.4° | 120.0° |
| C21 | C22 | H34 | H35 | 117.6° | 120.0° |
| C21 | C22 | C23 | H36 | 180.0° | 60.0° |
| C21 | C22 | C23 | H37 | 60.0° | 180.0° |
| C21 | C22 | C23 | H38 | 60.0° | 60.0° |
| C03 | C02 | O01 | H1 | 120.6° | 120.0° |
| C03 | C02 | O01 | H2 | 120.6° | 120.0° |
| C03 | C02 | H1 | H2 | 118.2° | 120.0° |
| C02 | C03 | C05 | H4 | 55.3° | 55.0° |
| C02 | C03 | C05 | H5 | 63.5° | 65.0° |
| C03 | C02 | O01 | H39 | 180.0° | 180.0° |
| C02 | C03 | O04 | H40 | 52.2° | 60.1° |
| C23 | C22 | C21 | H32 | 71.1° | 60.0° |
| C23 | C22 | C21 | H33 | 47.2° | 60.0° |
| C23 | C22 | H34 | H35 | 117.6° | 120.0° |
| C22 | C23 | H36 | H37 | 120.0° | 120.0° |
| C22 | C23 | H36 | H38 | 120.0° | 120.0° |
| C22 | C23 | H37 | H38 | 120.0° | 120.0° |
| O01 | C02 | H1 | H2 | 118.2° | 120.0° |
| O01 | C02 | C03 | H3 | 37.3° | 55.0° |
| H1 | C02 | C03 | H3 | 157.9° | 175.0° |
| H1 | C02 | O01 | H39 | 59.4° | 60.0° |
| H2 | C02 | C03 | H3 | 83.3° | 65.0° |
| H2 | C02 | O01 | H39 | 59.4° | 60.0° |
| H3 | C03 | C05 | H4 | 172.0° | 65.0° |
| H3 | C03 | C05 | H5 | 53.3° | 174.9° |
| H3 | C03 | O04 | H40 | 63.3° | 180.0° |
| H6 | C08 | C09 | H8 | 94.4° | 180.0° |
| H6 | C08 | C09 | H9 | 24.7° | 60.0° |
| H7 | C08 | C09 | H8 | 146.8° | 60.0° |
| H7 | C08 | C09 | H9 | 94.1° | 180.0° |
| H8 | C09 | C10 | H10 | 66.3° | 180.0° |
| H8 | C09 | C10 | H11 | 53.3° | 60.0° |
| H9 | C09 | C10 | H10 | 174.6° | 60.0° |
| H9 | C09 | C10 | H11 | 65.8° | 180.0° |
| H10 | C10 | C11 | H12 | 92.6° | 180.0° |
| H10 | C10 | C11 | H13 | 26.5° | 60.0° |
| H11 | C10 | C11 | H12 | 147.7° | 60.0° |
| H11 | C10 | C11 | H13 | 93.2° | NaN° |
| H12 | C11 | C12 | H14 | 144.0° | 180.0° |
| H12 | C11 | C12 | H15 | 24.7° | 60.0° |
| H13 | C11 | C12 | H14 | 96.9° | 60.0° |
| H13 | C11 | C12 | H15 | 143.8° | 180.0° |
| H14 | C12 | C13 | H16 | 127.4° | 180.0° |
| H14 | C12 | C13 | H17 | 8.1° | 60.1° |
| H15 | C12 | C13 | H16 | 8.1° | 60.1° |
| H15 | C12 | C13 | H17 | 111.2° | 180.0° |
| H16 | C13 | C14 | H18 | 140.5° | 180.0° |
| H16 | C13 | C14 | H19 | 22.0° | 60.0° |
| H17 | C13 | C14 | H18 | 100.2° | 60.0° |
| H17 | C13 | C14 | H19 | 141.2° | 180.0° |
| H18 | C14 | C15 | H20 | 129.8° | 180.0° |
| H18 | C14 | C15 | H21 | 110.9° | 59.9° |
| H19 | C14 | C15 | H20 | 11.3° | 59.9° |
| H19 | C14 | C15 | H21 | 130.6° | 180.0° |
| H20 | C15 | C16 | H22 | 108.6° | 179.9° |
| H20 | C15 | C16 | H23 | 132.9° | 60.0° |
| H21 | C15 | C16 | H22 | 10.7° | 60.0° |
| H21 | C15 | C16 | H23 | 107.7° | 180.0° |
| H22 | C16 | C17 | H24 | 115.6° | 180.0° |
| H22 | C16 | C17 | H25 | 3.3° | 60.0° |
| H23 | C16 | C17 | H24 | 126.0° | 60.0° |
| H23 | C16 | C17 | H25 | 115.1° | 180.0° |
| H24 | C17 | C18 | H26 | 95.6° | 180.0° |
| H24 | C17 | C18 | H27 | 23.4° | 60.0° |
| H25 | C17 | C18 | H26 | 145.5° | 60.0° |
| H25 | C17 | C18 | H27 | 95.5° | NaN° |
| H26 | C18 | C19 | H28 | 157.2° | 180.0° |
| H26 | C18 | C19 | H29 | 37.3° | 60.0° |
| H27 | C18 | C19 | H28 | 83.8° | 60.0° |
| H27 | C18 | C19 | H29 | 156.4° | 180.0° |
| H28 | C19 | C20 | H30 | 43.9° | 180.0° |
| H28 | C19 | C20 | H31 | 74.9° | 60.0° |
| H29 | C19 | C20 | H30 | 163.7° | 60.0° |
| H29 | C19 | C20 | H31 | 45.0° | 180.0° |
| H30 | C20 | C21 | H32 | 174.1° | 180.0° |
| H30 | C20 | C21 | H33 | 67.6° | 60.0° |
| H31 | C20 | C21 | H32 | 55.3° | 60.1° |
| H31 | C20 | C21 | H33 | 173.6° | 180.0° |
| H32 | C21 | C22 | H34 | 168.1° | 180.0° |
| H32 | C21 | C22 | H35 | 49.6° | 60.0° |
| H33 | C21 | C22 | H34 | 73.6° | 60.0° |
| H33 | C21 | C22 | H35 | 167.9° | NaN° |
| H34 | C22 | C23 | H36 | 59.2° | 60.0° |
| H34 | C22 | C23 | H37 | 179.2° | 60.0° |
| H34 | C22 | C23 | H38 | 60.8° | 180.0° |
| H35 | C22 | C23 | H36 | 59.2° | 180.0° |
| H35 | C22 | C23 | H37 | 60.8° | 60.0° |
| H35 | C22 | C23 | H38 | 179.2° | 60.0° |
| H36 | C23 | H37 | H38 | 120.0° | 119.9° |
